2-(5,6-dichlorobenzotriazol-1-yl)ethanol

C8H7Cl2N3O — CID 82147134

IUPAC2-(5,6-dichlorobenzotriazol-1-yl)ethanol
SMILESOCCn1nnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H7Cl2N3O/c9-5-3-7-8(4-6(5)10)13(1-2-14)12-11-7/h3-4,14H,1-2H2
InChIKeyXJHBNIOKRVDHOJ-UHFFFAOYSA-N
MW232.07 g/mol
LogP1.73
Rot. Bonds2

About 2-(5,6-dichlorobenzotriazol-1-yl)ethanol

2-(5,6-dichlorobenzotriazol-1-yl)ethanol (PubChem CID 82147134) has the molecular formula C8H7Cl2N3O and a molecular weight of 232.07 g/mol. Its IUPAC name is 2-(5,6-dichlorobenzotriazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5,6-dichlorobenzotriazol-1-yl)ethanol
PubChem CID82147134
Molecular FormulaC8H7Cl2N3O
Molecular Weight232.07 g/mol
Exact Mass231.00
IUPAC Name2-(5,6-dichlorobenzotriazol-1-yl)ethanol
SMILESOCCn1nnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H7Cl2N3O/c9-5-3-7-8(4-6(5)10)13(1-2-14)12-11-7/h3-4,14H,1-2H2
InChIKeyXJHBNIOKRVDHOJ-UHFFFAOYSA-N
XLogP1.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)benzotriazol-5-ol
CID 83524240
(2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol
CID 99703259
4-[(5,6-dichlorobenzotriazol-1-yl)methyl]benzoic acid
CID 94750680
3-(2-hydroxyethyl)benzotriazole-5-carbonitrile
CID 131420579
3-[3-(5,6-dichlorobenzotriazol-1-yl)-2-hydroxypropyl]oxolan-3-ol
CID 167947178
5,6-dichloro-1-propan-2-ylbenzotriazole
CID 178059021
4-(5,6-difluorobenzotriazol-1-yl)butanoic acid
CID 82147401
3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol
CID 83968869
1-(3-chloropropyl)-6-fluorobenzotriazole
CID 118386847
5-bromo-1-(2-chloroethyl)benzotriazole
CID 3805384
2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 94755758
2-[5,6-dichloro-2-(3-fluorophenyl)benzimidazol-1-yl]ethanol
CID 82149458

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichlorobenzotriazol-1-yl)ethanol?
The IUPAC name of 2-(5,6-dichlorobenzotriazol-1-yl)ethanol (CID 82147134) is 2-(5,6-dichlorobenzotriazol-1-yl)ethanol.
What is the SMILES notation for 2-(5,6-dichlorobenzotriazol-1-yl)ethanol?
The canonical SMILES for 2-(5,6-dichlorobenzotriazol-1-yl)ethanol is OCCn1nnc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(5,6-dichlorobenzotriazol-1-yl)ethanol?
The InChIKey is XJHBNIOKRVDHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O/c9-5-3-7-8(4-6(5)10)13(1-2-14)12-11-7/h3-4,14H,1-2H2.
What are the key properties of 2-(5,6-dichlorobenzotriazol-1-yl)ethanol?
2-(5,6-dichlorobenzotriazol-1-yl)ethanol has a molecular weight of 232.07 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichlorobenzotriazol-1-yl)ethanol is sourced from PubChem (CID 82147134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).